COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757544
Chemical Name: (8S,8aR)-6-amino-8-(4-ethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCOc1ccc(cc1)[C@@H]1[C@H]2CN(CC)CC=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 373.46
Empirical Formula: C22H23N5O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.331
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 3

     

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